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    <title language="eng">Elasto-plastic behaviour with reversible thermosalient expansion in acrylonitrile-based organic crystals</title>
    <abstract language="eng">Crystalline materials that exhibit reversible mechanical responses upon exposure to external stimuli have garnered significant attention owing to their potential applications in various fields. Herein, we report a crystal of (2Z,2′Z)-2,2′-(1,4-phenylene)bis(3-(4-bromophenyl)acrylonitrile) (DSBr), which displays simultaneous elasto-plastic behaviour and reversible thermosalient effects. While elasto-plastic behaviour is attributed to underlying packing features, reversible thermosalient expansion is attributed to uniaxial expansion mediated by heat. Exceptional length increase and contraction upon cooling is due to the restorative nature of weak interactions through a cooperative effect. The cooperative movement of molecules is reflected in the unidirectional expansion of the habit plane. Thermosalient reversible expansion–contraction in elasto-plastic crystals have not been discussed in the literature so far. Detailed analysis reported herein provides a comprehensive understanding of the underlying mechanism of flexibility and thermosalient responses. This crystal's unique blend of reversible thermal expansion with flexibility holds substantial promise for applications in flexible thermal actuators.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry C</parentTitle>
    <identifier type="doi">10.1039/D3TC04272C</identifier>
    <identifier type="issn">2050-7526</identifier>
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    <author>Deepak Manoharan</author>
    <author>Subham Ranjan</author>
    <author>Franziska Emmerling</author>
    <author>Biswajit Bhattacharya</author>
    <author>Satoshi Takamizawa</author>
    <author>Soumyajit Ghosh</author>
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    <title language="eng">Mechanochemical Fullerene Nanoencapsulation in Amino‐Functionalized ZIF‐12 for Visible‐Light Disinfection of Waterborne Viruses and Bacteria</title>
    <abstract language="eng">Water contamination poses a significant threat to public health and environmental sustainability, necessitating the development of efficient purification technologies. This study reports the mechanochemical synthesis of an amino-functionalized ZIF 12 framework with encapsulated fullerene (C60) as a bifunctional photocatalyst for water decontamination and disinfection under visible-light irradiation. The samples were characterized using powder X-ray diffraction (PXRD), FT-IR spectroscopy, N2 adsorption isotherm, X-ray photoelectron spectroscopy (XPS), electron microscopy (SEM and TEM), thermogravimetric Analysis (TGA), and UV–vis diffuse reflectance spectroscopy (DRS), confirming the retention of crystallinity and effective incorporation of C60 and amino groups within the framework. Fullerene loading and amino functionalization modified the optical properties, extending visible light absorption and enhancing charge separation and photocatalytic activity. The synergistic interaction between amino groups and C60 promotes efficient charge separation and enhanced hydroxyl radical production, resulting in improved photocatalytic and photo-Fenton activity. C60@ZIF-12-NH2 exhibited excellent photocatalytic performance, achieving the completeinactivation of bacteriophage P22 under saline conditions and effective disinfection of E.coli and coliforms innatural river water, demonstrating robustness under environmentally relevant conditions. The solvent-minimized mechanochemical synthesis and visible-light-driven activity position the C60@ZIF-12-NH2 composite as a promising platform for sustainable and advanced water treatment applications.</abstract>
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    <author>Noelia Rodríguez‐Sánchez</author>
    <author>Menta Ballesteros</author>
    <author>Carsten Prinz</author>
    <author>Inés Canosa</author>
    <author>Amando Flores Díaz</author>
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      <value>ZIF-12</value>
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    <title language="eng">Different mechanical responses of dimorphic forms of Anthracene Schiffbase crystal</title>
    <abstract language="eng">We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5- dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirsh- feld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms.</abstract>
    <parentTitle language="eng">Journal of Molecular Structure</parentTitle>
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    <title language="eng">Design of mechanically flexible photoresponsive cyanostilbene molecular crystals</title>
    <abstract language="eng">Photoresponsive molecular crystals have sparked interest owing to their potential application prospects. In this study, we achieved dual mechanical responses of a cyanostilbene-based crystal BN. The crystal exhibited both stress-induced mechanical flexibility and light-induced photomechanical bending. Two distinct mechanical responses are related to different underlying phenomena and were not interlinked. While elasticity is attributed to criss-cross packing arrangement in the isotropic structure, photomechanical bending is attributed to the formation of heterogeneous phase distribution due to monomer to dimer cycloaddition product formation. The crystal did not demonstrate photoswitching activity. However, it exhibited thermal reversibility, highlighting reversible dimer to monomer conversion.</abstract>
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    <title language="eng">Chemically complex materials enable sustainable high-performance materials</title>
    <abstract language="eng">Chemically complex materials (CCMats) 􀀀 including high-entropy alloys, oxides, and related multi-principal element systems 􀀀 offer a paradigm shift in materials design by leveraging chemical diversity to simultaneously optimize functional, structural, and sustainability criteria. The vastness of the compositional and structural space in CCMats propels the field into an expanding exploratory state. To reconcile functional and structural performance across this immense parameter space remains an open challenge. This Perspective evaluates the opportunities and challenges associated with harnessing chemical complexity across a broad spectrum of applications, such as hydrogen storage, ionic conductors, catalysis, magnetics, dielectrics, semiconductors, optical materials, and multifunctional structural systems. It is delineated how three central design strategies: targeted substitution (SUB), defect engineering (DEF), and diversity management (DIV) enable the reconciliation of high functional performance with long-term structural stability and environmental responsibility.&#13;
Advances in computational thermodynamics, microstructure simulations, machine learning, and multimodal characterization are accelerating the exploration and optimization of CCMats, while robust data infrastructures and automated synthesis workflows are emerging as essential tools for navigating their complex compositional space. By fostering cross-disciplinary knowledge transfer and embracing data-driven design, CCMats are poised to deliver next-generation materials solutions that address urgent technological, energy, and&#13;
environmental demands.</abstract>
    <parentTitle language="eng">Current Opinion in Solid State and Materials Science</parentTitle>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Tilmann Hickel</author>
    <author>Anja Waske</author>
    <author>Ali Tehranchi</author>
    <author>Biswajit Bhattacharya</author>
    <author>Tomasz M. Stawski</author>
    <author>Tim-Patrick Fellinger</author>
    <author>Asad Mehmood</author>
    <author>Julia Witt</author>
    <author>Ozlem Ozcan</author>
    <author>Ana Guilherme Buzanich</author>
    <author>Sourabh Kumar</author>
    <author>Rajesh Kumar Mishra</author>
    <author>Marco Holzer</author>
    <author>Andrea Simone Stucchi de Camargo</author>
    <author>Leonardo Agudo Jácome</author>
    <author>Anna Manzoni</author>
    <author>Andrea Fantin</author>
    <author>Elisabeth John</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>Sophia Bührig</author>
    <author>Jegatheesan Murugan</author>
    <author>Niklas Marschall</author>
    <author>Janine George</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Robert Maaß</author>
    <author>Franziska Emmerling</author>
    <subject>
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      <type>uncontrolled</type>
      <value>Chemically complex materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structural stability</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Functional performance</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Design strategies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sustainability</value>
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    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
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    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
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    <publishedYear>2024</publishedYear>
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    <issue>Part 1</issue>
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    <title language="eng">Carboxylative cyclization of propargyl alcohols with carbon dioxide for the synthesis of α-alkylidene cyclic carbonates in presence of Co(III) schiff base complex catalyst</title>
    <abstract language="eng">A cobalt(III) complex, [Co(L)3](DMF) (1) of Schiff base ligand HL, 2-((E)-(benzylimino)methyl)-4-bromophenol is prepared and single crystal X-ray structural analysis have also been performed. The structures of complex 1 showed hexa-coordinated mononuclear systems that adopt octahedral geometry. The complex has also exhibited the supramolecular networks through non-covalent interactions like H-bonding, C–Hπ stacking. Moreover, the complex 1 is very effective in the catalytic fixation of carbon dioxide in propergyl alcohols to produce α-alkylidene cyclic carbonates. The catalytic production of α-alkylidene cyclic carbonates have been carried out through carboxylative cyclization of propargyl alcohols using CO2 balloon of 1 atm pressure at 80 ◦C. Solvent free condition (green synthesis) made this catalytic protocol eco-friendly towards the environment. Utilizing various substrates of propargyl alcohols moderate to high percentage yield (62–95%) of respective α-alkylidene cyclic carbonates product have been isolated over this catalytic reaction. Besides, the theoretical calculations (DFT) was performed for the prediction of probable mechanism of the catalytic reaction</abstract>
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      <value>Catalytic fixation of carbon dioxide</value>
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      <value>Carboxylative cyclization of propargyl alcohols</value>
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      <value>Cobalt (III) Schiff base complex</value>
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      <value>X-ray crystal analysis</value>
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    <title language="eng">Mechanochemical and solution syntheses of two novel cocrystals of orcinol with two N,N0-Dipyridines: Structural diversity with varying ligand flexibility</title>
    <abstract language="eng">We studied the influence of coformers flexibility on the supramolecular assembly of 5-substituted resorcinol. Two cocrystals of orcinol (ORL) with two dipyridine molecules, i.e. 1,2-di(4-pyridyl)ethane (ORLeBPE) and 1,2-di(4-pyridyl)ethylene (ORLeBPY), were prepared by mechanochemical synthesis and slow evaporation of solvent. The new crystalline solids were thoroughly characterized by single crystal Xray diffraction (SCXRD), powder X-ray diffraction analysis (PXRD), Fourier-transform infrared spectroscopy (FT-IR), differential thermal analysis (DTA), and thermogravimetric analysis (TGA). Structural determination reveals that in both cocrystals, the phenolepyridine, i.e. OeH/N(py) heterosynthon takes the main role in the formation of cocrystals. In ORLeBPE, the components form infinite 1D zig-zag chains, which are extended to 2D layer structure by inter-chain CeH/O interactions between BPE hydrogen atoms and hydroxyl oxygen atoms of ORL. In ORLeBPY, the components form a 0D fourcomponent complex. Formation of the discrete assemblies is attributed to the comparative rigid nature of BPY, which restricts the formation of an extended network.</abstract>
    <parentTitle language="eng">Journal of Molecular Structure</parentTitle>
    <identifier type="doi">10.1016/j.molstruc.2020.128303</identifier>
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    <author>Max Rautenberg</author>
    <author>Biswajit Bhattacharya</author>
    <author>Irinia Akhmetova</author>
    <author>Franziska Emmerling</author>
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      <language>eng</language>
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      <value>Cocrystal</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single crystal</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
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    <subject>
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      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
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